Atomic approach to the optimized compositions of Ni–Nb–Ti glassy alloys with large glass-forming ability

Li, Yang; Li, Jiahao; Liu, Jianbo; Liu, Baixin

doi:10.1039/c4ra08852b

Cited by 12 publications

(5 citation statements)

References 51 publications

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“…[24] This value is consistent with the most negative value of DP HS for Ni-Nb binaries, determined here for Ni 55 Nb 45 and matches qualitatively with the results presented for ternary Ni-Nb-Ti system. [25] Nevertheless, bulk metallic glasses of Ni-Nb have been synthesized sporadically, e.g., by quenching of highly undercooled melts. [26] Except Ni-Nb, also alloys with group IV transition metal, so Ni-Zr and Ni-Nb-Zr, are known as the best glass formers among Ni-TM systems.…”

Section: Resultsmentioning

confidence: 99%

Glass-Forming Ability of Fe-Ni Alloys Substituted by Group V and VI Transition Metals (V, Nb, Cr, Mo) Studied by Thermodynamic Modeling

Śniadecki

2020

Metall Mater Trans A

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The glass-forming ability (GFA) of Fe-Ni-TM alloys, where TM = V, Nb, Cr, Mo, was determined utilizing thermodynamic modeling. Enthalpies of formation of amorphous state were calculated and analyzed along with normalized mismatch entropy and glass-forming ability parameter. All thermodynamic quantities were qualitatively compared with enthalpies of formation of solid solution and experimental results. Due to the fact that FeNi-based amorphous ribbons are used nowadays in magnetoelastic sensors (MES), which can be used in biomedical or chemical applications, discussion is concentrated mainly on the substitution effect of group V and VI transition metals on the improvement of GFA. In this sense, group V elements are preferred, with Nb as the most promising candidate among all analyzed TM elements. This is a consequence of significant differences of potential and density of electrons at the boundary of Wigner-Seitz cell comparing to Fe and Ni, which in turn leads to more negative values of interfacial enthalpy and higher driving force for vitrification.

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Section: Resultsmentioning

confidence: 99%

Glass-Forming Ability of Fe-Ni Alloys Substituted by Group V and VI Transition Metals (V, Nb, Cr, Mo) Studied by Thermodynamic Modeling

Śniadecki

2020

Metall Mater Trans A

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“…Based on Cu 60 Zr 30 Ti 10 [6], Cu 49 Zr 45 Al 6 [10], and Cu 54 Zr 36 Ag 10 [11] alloys, a Cu 35 Zr 30 Ti 15 Al 5 Ag 15 HEAA was designed (Figure 10b). Based on Ni 60 Nb 35 Sn 5 [7], Ni 50 Nb 28 Zr 22 [14], and Ni 60 Nb 25 Ti 15 [20] alloys, a Ni 35 Nb 25 Sn 5 Zr 10 Ti 25 HEAA was obtained (Figure 10c) [55]. Quinary HEAAs can be designed from two kinds of quaternary amorphous alloys in a similar way [61].…”

Section: Designing Heaas Based On Existing Ternary/quaternary Bulk Me...mentioning

confidence: 99%

“…Apart from experiments, several parameters were proposed for evaluating the GFA of an alloy, such as T rg [17], ∆T x [18], γ [19], etc. The atomic simulation method was also applied to enhance the GFA of Ni-Nb-Ti amorphous alloys by Li et al [20]. Amorphous alloys possess outstanding performance, such as high strength, high hardness, good corrosion resistance, and wear resistance, etc.…”

Section: Introductionmentioning

confidence: 99%

Composition Design Strategy for High Entropy Amorphous Alloys

Ding,

Zhang,

Yao

2024

Materials

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High entropy amorphous alloys (HEAAs) are materials that have received much attention in recent years. They exhibit many unique properties; however, research on their composition design method has not been deep enough. In this paper, we summarized some effective composition design strategies for HEAAs. By adjusting the atomic ratio from quinary bulk metallic glasses, Ti20Zr20Cu20Ni20Be20 HEAA with a high fracture strength of 2315 MPa was designed. By similar element addition/substitution, a series of Ti–(Zr, Hf, Nb)–Cu–Ni–Be HEAAs was developed. They possess good glass-forming ability with a maximum critical diameter of 30 mm. Combining elements from those ternary/quaternary bulk metallic glasses has also proved to be an effective method for designing new HEAAs. The effect of high entropy on the property of the alloy, possible composition design methods, and potential applications were also discussed. This paper may provide helpful inspiration for future development of HEAAs.

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“…Several interatomic potentials have been developed for the Ti-Ni binary systems. These include the Finnis-Sinclair (FS) potentials [31] by Lai and Liu [32] and Ren and Sehitoglu [33], the modified-FS potentials by Mutter and Nielaba [34] and Zhong et al [35], the Gupta potential by Kexel et al [36], the embedded-atom method (EAM) potential [37] by Farkas et al [38], the EAM type potential, referred to as a long-range empirical potential, by Li et al [39], the modified-EAM method (MEAM) potentials [40] by Ishida and Hiwatari [41] and Saitoh et al [42], and the second nearest-neighbor (2NN) MEAM potentials [43] by Ko et al [44], Kim et al [45], and Muralles et al [46]. Most of these potentials were developed to reproduce the main characteristics of the martensitic transformation close to the equiatomic composition.…”

Section: Introductionmentioning

confidence: 99%

Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti–Ni alloys and its application to phase field simulation of solidification

Kavousi

Novak

Baskes

et al. 2019

Modelling Simul. Mater. Sci. Eng.

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We developed new interatomic potentials, based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) formalism, for Ti, Ni, and the binary Ti–Ni system. These potentials were fit to melting points, latent heats, the binary phase diagrams for the Ti rich and Ni rich regions, and the liquid phase enthalpy of mixing for binary alloys, therefore they are particularly suited for calculations of crystal-melt (CM) interface thermodynamic and transport properties. The accuracy of the potentials for pure Ti and pure Ni were tested against both 0 K and high temperature properties by comparing various properties obtained from experiments or density functional theory calculations including structural properties, elastic constants, point-defect properties, surface energies, temperatures and enthalpies of phase transformations, and diffusivity and viscosity in the liquid phase. The fitted binary potential for Ti–Ni was also tested against various non-fitted properties at 0 K and high temperatures including lattice parameters, formation energies of different intermetallic compounds, and the temperature dependence of liquid density at various concentrations. The CM interfacial free energies obtained from simulations, based on the newly developed Ti–Ni potential, show that the bcc alloys tend to have smaller anisotropy compared with fcc alloys which is consistent with the finding from the previous studies comparing single component bcc and fcc materials. Moreover, the interfacial free energy and its anisotropy for Ti-2 atom% Ni were also used to parameterize a 2D phase field (PF) model utilized in solidification simulations. The PF simulation predictions of microstructure development during solidification are in good agreement with a geometric model for dendrite primary arm spacing.

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Atomic approach to the optimized compositions of Ni–Nb–Ti glassy alloys with large glass-forming ability

Abstract: The optimized composition region and the optimum composition with the largest GFA were obtained through atomic simulations.

Cited by 12 publications

References 51 publications

Glass-Forming Ability of Fe-Ni Alloys Substituted by Group V and VI Transition Metals (V, Nb, Cr, Mo) Studied by Thermodynamic Modeling

Glass-Forming Ability of Fe-Ni Alloys Substituted by Group V and VI Transition Metals (V, Nb, Cr, Mo) Studied by Thermodynamic Modeling

Composition Design Strategy for High Entropy Amorphous Alloys

Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti–Ni alloys and its application to phase field simulation of solidification

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